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Paul Tavan

Showing results (21-30 of 44) with videos related to

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Photochemistry and Photobiology|December 1, 2010
Density functional theory combined with molecular mechanics: the infrared spectra of flavin in solutionBenjamin Rieff, Gerald Mathias, Sebastian Bauer, et al.
The Journal of Physical Chemistry. B|July 13, 2013
Polarizable water models from mixed computational and empirical optimizationPhilipp Tröster, Konstantin Lorenzen, Magnus Schwörer, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Extracting Markov Models of Peptide Conformational Dynamics from Simulation DataVerena Schultheis, Thomas Hirschberger, Heiko Carstens, et al.
Journal of Chemical Theory and Computation|December 4, 2015
Simulated Solute TemperingRobert Denschlag, Martin Lingenheil, Paul Tavan, et al.
The Journal of Physical Chemistry. B|February 12, 2011
IR spectra of flavins in solution: DFT/MM description of redox effectsBenjamin Rieff, Sebastian Bauer, Gerald Mathias, et al.
The Journal of Physical Chemistry. B|September 11, 2008
A polarizable force field for computing the infrared spectra of the polypeptide backboneVerena Schultheis, Rudolf Reichold, Bernhard Schropp, et al.
The Journal of Chemical Physics|March 16, 2015
Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulationsMagnus Schwörer, Konstantin Lorenzen, Gerald Mathias, et al.
Biophysical Journal|January 25, 2005
Molecular dynamics simulations indicate a possible role of parallel beta-helices in seeded aggregation of poly-GlnMartina Stork, Armin Giese, Hans A Kretzschmar, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Optimizing the Accuracy and Efficiency of Fast Hierarchical Multipole Expansions for MD SimulationsKonstantin Lorenzen, Magnus Schwörer, Philipp Tröster, et al.
Biochemistry|March 23, 2005
Multiple loop conformations of peptides predicted by molecular dynamics simulations are compatible with nuclear magnetic resonanceHeiko Carstens, Christian Renner, Alexander G Milbradt, et al.
Pageof 5

Showing results (21-30 of 44) with videos related to

Sort By:
Pageof 5
Photochemistry and Photobiology|December 1, 2010
Density functional theory combined with molecular mechanics: the infrared spectra of flavin in solutionBenjamin Rieff, Gerald Mathias, Sebastian Bauer, et al.
The Journal of Physical Chemistry. B|July 13, 2013
Polarizable water models from mixed computational and empirical optimizationPhilipp Tröster, Konstantin Lorenzen, Magnus Schwörer, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Extracting Markov Models of Peptide Conformational Dynamics from Simulation DataVerena Schultheis, Thomas Hirschberger, Heiko Carstens, et al.
Journal of Chemical Theory and Computation|December 4, 2015
Simulated Solute TemperingRobert Denschlag, Martin Lingenheil, Paul Tavan, et al.
The Journal of Physical Chemistry. B|February 12, 2011
IR spectra of flavins in solution: DFT/MM description of redox effectsBenjamin Rieff, Sebastian Bauer, Gerald Mathias, et al.
The Journal of Physical Chemistry. B|September 11, 2008
A polarizable force field for computing the infrared spectra of the polypeptide backboneVerena Schultheis, Rudolf Reichold, Bernhard Schropp, et al.
The Journal of Chemical Physics|March 16, 2015
Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulationsMagnus Schwörer, Konstantin Lorenzen, Gerald Mathias, et al.
Biophysical Journal|January 25, 2005
Molecular dynamics simulations indicate a possible role of parallel beta-helices in seeded aggregation of poly-GlnMartina Stork, Armin Giese, Hans A Kretzschmar, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Optimizing the Accuracy and Efficiency of Fast Hierarchical Multipole Expansions for MD SimulationsKonstantin Lorenzen, Magnus Schwörer, Philipp Tröster, et al.
Biochemistry|March 23, 2005
Multiple loop conformations of peptides predicted by molecular dynamics simulations are compatible with nuclear magnetic resonanceHeiko Carstens, Christian Renner, Alexander G Milbradt, et al.
Pageof 5